3-(4-ethoxyphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-ethoxyphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-ethoxyphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(4-ethoxyphenoxy)-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-ethoxyphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-ethoxyphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]propan-1-one Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O6S/c1-3-29-19-4-6-20(7-5-19)30-17-12-22(25)23-13-15-24(16-14-23)31(26,27)21-10-8-18(28-2)9-11-21/h4-11H,3,12-17H2,1-2H3